n-Pentylglucosinolate

CAS Registry Number®

127929-24-2

CAS Name

n-Pentylglucosinolate

Molecular Formula

C12H23NO9S2

Molecular Mass

389.44

Cite this Page

n-Pentylglucosinolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=127929-24-2 (retrieved 2024-11-12) (CAS RN: 127929-24-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H23NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/t7-,9-,10+,11-,12+/m1/s1

InChIKey

InChIKey=HWFSIYKVSPYQJX-URYVQPGZSA-N

SMILES

S(C(=NOS(=O)(=O)O)CCCCC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCC

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)hexanimidate]
  • n-Pentylglucosinolate

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles